N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide

C12H17FN2O3S — CID 47403939

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O3S/c1-9(15-19(2,17)18)12(16)14-8-7-10-3-5-11(13)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyOMVHUORQIRJBQH-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.42
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide

N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide (PubChem CID 47403939) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide
PubChem CID47403939
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O3S/c1-9(15-19(2,17)18)12(16)14-8-7-10-3-5-11(13)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyOMVHUORQIRJBQH-UHFFFAOYSA-N
XLogP0.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 18159154
(2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide
CID 36505869
2-[2-(4-fluorophenyl)ethylcarbamoyl]-3-methylbutanoic acid
CID 115186267
2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 43112605
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059
2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571284
(2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide
CID 51946192
N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 108531969
3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide
CID 110357206
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide;hydrochloride
CID 119675788
(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119263958

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide (CID 47403939) is N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide is CC(NS(C)(=O)=O)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide?
The InChIKey is OMVHUORQIRJBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-9(15-19(2,17)18)12(16)14-8-7-10-3-5-11(13)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide?
N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide has a molecular weight of 288.34 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide is sourced from PubChem (CID 47403939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).